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1:14
Molecular Binding
Molecular Binding
Molecular Binding
Short video produced by iemedia solutions (http://www.iemedia.co.uk) for the Scientific Instrumentation Division of the Farfield Group (http://www.farfield-g...
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1:01
Molecular dynamics simulation of a drug entering into the binding site of a target protein
Molecular dynamics simulation of a drug entering into the binding site of a target protein
Molecular dynamics simulation of a drug entering into the binding site of a target protein
Unbiased molecular dynamics simulation of DADME binding to PNP.
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42:02
Alfred Wittinghofer (MPI) Part 1: GTP-binding Proteins as Molecular Switches
Alfred Wittinghofer (MPI) Part 1: GTP-binding Proteins as Molecular Switches
Alfred Wittinghofer (MPI) Part 1: GTP-binding Proteins as Molecular Switches
http://www.ibiology.org/ibioseminars/biophysics-chemical-biology/alfred-wittinghofer-part-1.html When a growth factor binds to the plasma membrane of a quies...
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2:19
9-9 Molecular orbitals and distributed bonds: ammonia - non-binding electron pairs
9-9 Molecular orbitals and distributed bonds: ammonia - non-binding electron pairs
9-9 Molecular orbitals and distributed bonds: ammonia - non-binding electron pairs
(c) 2012 edX Lecture by Prof. Cima, MIT, taken form the edX course : 3.091x Introduction to Solid State Chemistry http://creativecommons.org/licenses/by-nc-n...
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0:17
Simulated molecular dynamics in the Na+ binding state of Na+,K+ P-type ATPase
Simulated molecular dynamics in the Na+ binding state of Na+,K+ P-type ATPase
Simulated molecular dynamics in the Na+ binding state of Na+,K+ P-type ATPase
The movie visualises a 45 ns molecular dynamics (MD) simulation of the Na+,K+ structure (Nyblom et al. 2013 (http://www.sciencemag.org) (PDB code 4HQJ)) divided into 100 ps fractions. The cytoplasmic A (actuator), N (nucleotide) and P (phosphorylation) domains are shown in yellow, red and blue, respectively. The transmembrane helices are represented as: aM1-2 (purple), aM3-4 (green), aM5-6 (blue) and aM7-10 (wheat). The beta and gamma subunits are depicted in red-brown and orange, respectively. The three sodium ions are shown as yellow vdW spheres and residues within 3.5 Å of the three ions are updated throughout the movie sequence.
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0:27
Molecular dynamics of carbohydrate binding to a designed protein
Molecular dynamics of carbohydrate binding to a designed protein
Molecular dynamics of carbohydrate binding to a designed protein
The binding of a simple carbohydrate, galactose, to a rationally engineered protein, ThreeFoil (http://www.cell.com/structure/abstract/S0969-2126%2811%290041...
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27:53
Predicting Binding Free Energies from Molecular Simulations
Predicting Binding Free Energies from Molecular Simulations
Predicting Binding Free Energies from Molecular Simulations
4th LBRN Computational Biology Workshop (2011) Invited Speaker. Dr. David Mobley, University of New Orleans.
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0:42
LAO binding protein, molecular dynamic simulations of the two different closed states.
LAO binding protein, molecular dynamic simulations of the two different closed states.
LAO binding protein, molecular dynamic simulations of the two different closed states.
Lysine, Arginine, Ornitine binding protein (LAO, for short) is a bacterial protein that traps aminoacids with a high affinity. Here I show two simulations ran in parallel:
1) Right, LAO with its binding site occupied by Arg
2) Left, LAO empty.
During the course of these 50 nanosecond simulation, the empty one can be observed to open.
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0:55
Molecular Structure Animation
Molecular Structure Animation
Molecular Structure Animation
Interleukin-1 binding to its receptor on a cell surface, created from structural data.
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0:13
Nanomining novel zinc-binding sites in Annexin 5 using molecular dynamic simulation
Nanomining novel zinc-binding sites in Annexin 5 using molecular dynamic simulation
Nanomining novel zinc-binding sites in Annexin 5 using molecular dynamic simulation
Nanomining for novel zinc-binding sites in Annexin 5 calcium and phospholipid binding protein using molecular dynamic simulation. Annexin 5 has been show to ...
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0:48
Molecular Dynamics Simulation of the glutamate receptor ligand binding domain
Molecular Dynamics Simulation of the glutamate receptor ligand binding domain
Molecular Dynamics Simulation of the glutamate receptor ligand binding domain
Molecular Dynamics simulation of the ligand binding domain of a neuro receptor, iGluA2, important for the fast communication between neuronal cells in the CN...
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1:03
Molecular tweezer binds to protein
Molecular tweezer binds to protein
Molecular tweezer binds to protein
This is a computer simulation of the molecular tweezer binding to amylin, the protein that kills the beta cells in the pancreas in type-2 diabetes. The molecular tweezer binds to the predicted spot, the amino acid lysine in position 1 (depicted in blue), even though it is placed in the beginning of the simulation near the competing site, the amino acid arginine in position 11 (depicted in green). The many white and red "bubbles" around are water molecules.
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8:35
Identifying a protein binding sites on DNA molecule
Identifying a protein binding sites on DNA molecule
Identifying a protein binding sites on DNA molecule
DNA-binding proteins are proteins that are composed of DNA-binding domains and thus have a specific or general affinity for either single or double stranded ...
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29:54
nanoHUB-U Nanobiosensors L4.1: Selectivity - Introduction and Molecular Recognition
nanoHUB-U Nanobiosensors L4.1: Selectivity - Introduction and Molecular Recognition
nanoHUB-U Nanobiosensors L4.1: Selectivity - Introduction and Molecular Recognition
Table of Contents: 00:09 Lecture 4.1: Introduction and Molecular Recognition 01:18 Outline 02:15 Response time and sensitivity of sensors 03:33 The Spider Ch...
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2:15
Molecular Dynamics on Stapled Peptide - Computational Drug Design
Molecular Dynamics on Stapled Peptide - Computational Drug Design
Molecular Dynamics on Stapled Peptide - Computational Drug Design
Probing the α-helical structural stability of stapled p53 peptides using replica exchange molecular dynamics. Zoujun Guo, Udayan Mohanty, Justin Noehre, Tomi...
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0:31
Molecular Dynamics Simulation of Biotin/Streptavidin Complex
Molecular Dynamics Simulation of Biotin/Streptavidin Complex
Molecular Dynamics Simulation of Biotin/Streptavidin Complex
This simulation explores the binding event of biotin, and gives rise to a hypothesized "channel" in the protein that provides a pathway for water to enter/ex...
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0:41
Molecular dynamics of a protein with cysteine coordinated Zn.
Molecular dynamics of a protein with cysteine coordinated Zn.
Molecular dynamics of a protein with cysteine coordinated Zn.
Molecular dynamics simulation of a protein/zinc complex. This was performed with the AMBER forcefield using the GROMACS suite. Amber allows for the use of de...
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9:57
The Use of Computational Molecular Modelling in a Virtual Screen...
The Use of Computational Molecular Modelling in a Virtual Screen...
The Use of Computational Molecular Modelling in a Virtual Screen...
The Use of Computational Molecular Modelling in a Virtual Screen to Identify Inhibitors of a DNA Repair Enzyme Molecular Operating Environment (MOE) computat...
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0:32
Molecular Dynamic Supercomputer Simulation of Annexin 5 Trimer Interacting With Matrix Vesicle Lipid
Molecular Dynamic Supercomputer Simulation of Annexin 5 Trimer Interacting With Matrix Vesicle Lipid
Molecular Dynamic Supercomputer Simulation of Annexin 5 Trimer Interacting With Matrix Vesicle Lipid
Supercomputer Molecular Dynamic Simulation of Annexin 5 Trimer Interacting With Mixed Phospholipid Bilayer Molecular Mimicking the Matrix Vesicle Bilayer. Th...
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3:29
Constant pH Method: Capturing Proton Movements in Molecular Dynamic Simulations
Constant pH Method: Capturing Proton Movements in Molecular Dynamic Simulations
Constant pH Method: Capturing Proton Movements in Molecular Dynamic Simulations
Constant pH dynamics is a simulation procedure where the protonation states of residues and molecules are allowed to fluctuate. This process is important in ...
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0:27
CXCR4 Binding Inhibition
CXCR4 Binding Inhibition
CXCR4 Binding Inhibition
For more information, visit CancerQuest at http://www.cancerquest.org/targeted-molecular-receptors. The CXCR4 protein is a chemokine receptor that appears to...
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0:40
Molecular recognition of a single sphingolipid species by a protein's transmembrane domain
Molecular recognition of a single sphingolipid species by a protein's transmembrane domain
Molecular recognition of a single sphingolipid species by a protein's transmembrane domain
From the paper authored by F.-Xabier Contreras, Andreas M. Ernst, Per Haberkant, Patrik Björkholm, Erik Lindahl, Başak Gönen, Christian Tischer, Arne Elofsso...
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108:33
Genetic Control by a Metabolite Binding mRNA and A Decade of Riboswitches
Genetic Control by a Metabolite Binding mRNA and A Decade of Riboswitches
Genetic Control by a Metabolite Binding mRNA and A Decade of Riboswitches
Patrick D'haeseleer leads us through a review and discussion of two papers. Genetic Control by a Metabolite Binding mRNA Ali Nahvi, et.al. 2Department of Mol...